N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline

C17H20FNO2 — CID 43225074

IUPACN-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NC(C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H20FNO2/c1-11-9-16(20-3)17(21-4)10-15(11)19-12(2)13-5-7-14(18)8-6-13/h5-10,12,19H,1-4H3
InChIKeyJCALUNJOPSKCLZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.32
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline

N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline (PubChem CID 43225074) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline
PubChem CID43225074
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NC(C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H20FNO2/c1-11-9-16(20-3)17(21-4)10-15(11)19-12(2)13-5-7-14(18)8-6-13/h5-10,12,19H,1-4H3
InChIKeyJCALUNJOPSKCLZ-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43716780
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502
4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene
CID 175148983
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7751068

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline (CID 43225074) is N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline is COc1cc(C)c(NC(C)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline?
The InChIKey is JCALUNJOPSKCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-9-16(20-3)17(21-4)10-15(11)19-12(2)13-5-7-14(18)8-6-13/h5-10,12,19H,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline?
N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline has a molecular weight of 289.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 43225074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).